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Combining Experimental and Simulation Techniques to Understand Morphology Control in Pentapeptide Nanostructures

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2017

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Mishra, Narendra Kumar
Verma, Sandeep

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https://doi.org/10.1021/acs.jpcb.7b06005
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The Journal of Physical Chemistry B. 2017, 121(34), pp. 8155-8161. ISSN 1520-6106. eISSN 1520-5207. Available under: doi: 10.1021/acs.jpcb.7b06005

Zusammenfassung

A controlled route toward biocompatible nanostructures has immense relevance for drug delivery and tissue engineering. We present an experimental-computational study identifying factors that govern the formation of well-defined aggregates by self-assembled pentapeptides, using single amino acid substitution. A subtle interplay between peptide rigidity/flexibility, hydrogen-bonding capacity, partitioning of aromatic side chains, and influence of dimerization determines the formation of ordered and disordered aggregate structures, and shifts the balance between the emergence of spherical or ill-defined morphologies.

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ISO 690MISHRA, Narendra Kumar, Alok JAIN, Christine PETER, Sandeep VERMA, 2017. Combining Experimental and Simulation Techniques to Understand Morphology Control in Pentapeptide Nanostructures. In: The Journal of Physical Chemistry B. 2017, 121(34), pp. 8155-8161. ISSN 1520-6106. eISSN 1520-5207. Available under: doi: 10.1021/acs.jpcb.7b06005
BibTex
@article{Mishra2017-08-31Combi-40363,
  year={2017},
  doi={10.1021/acs.jpcb.7b06005},
  title={Combining Experimental and Simulation Techniques to Understand Morphology Control in Pentapeptide Nanostructures},
  number={34},
  volume={121},
  issn={1520-6106},
  journal={The Journal of Physical Chemistry B},
  pages={8155--8161},
  author={Mishra, Narendra Kumar and Jain, Alok and Peter, Christine and Verma, Sandeep}
}
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